Molecule ID: mol13674

SMILES: CC(=O)Nc1nnn[nH]1

InChI: InChI=1S/C3H5N5O/c1-2(9)4-3-5-7-8-6-3/h1H3,(H2,4,5,6,7,8,9)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
4.49 AttenGpKa training set 0 » -1
4.53 Datawarrior 0 » -1
4.53 OCHEM 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization